SCHEMBL6930288

SCHEMBL6930288

CC(C)N1N=C(c2ccn[nH]2)C(O)(O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MTOR P42345 1/20 0.34
COMT P21964 2/20 0.34
USP19 O94966 2/20 0.33
USP7 Q93009 1/20 0.32
IDO1 P14902 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 0.31
LRRK2 Q5S007 2/20 0.31
SCN4A P35499 2/20 0.31
PDPK1 O15530 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6930205 0.81 COMT (0.40) MAPTCOMTIDO1NPC1ALDH1A1
SCHEMBL6934256 0.77 COMT (0.38) MAPTMTORCOMTUSP19USP7
SCHEMBL6935522 0.75 NPC1 (0.38) MAPTCOMTNPC1ALDH1A1POLB
SCHEMBL7609894 0.69 COMT (0.37) MAPTMTORCOMTNPC1ALDH1A1
SCHEMBL7130760 0.69 NPC1 (0.35) MAPTUSP19NPC1ALDH1A1POLB
SCHEMBL6928265 0.66 GAA (0.39)
SCHEMBL3068150 0.59 SCN4A (0.62) COMTIDO1NPC1ALDH1A1POLB
SCHEMBL6933456 0.59 GAA (0.30)
SCHEMBL8095476 0.55 HCAR2 (0.57) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL6930216 0.55 GAA (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed